N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide CAS Name: N-[4-(cyclopentylthio)phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetamide Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC=C(C=C2)SC3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC=C(C=C2)SC3CCCC3

InChI

InChI=1S/C22H31N3OS/c1-15(2)14-25-17(4)21(16(3)24-25)13-22(26)23-18-9-11-20(12-10-18)27-19-7-5-6-8-19/h9-12,15,19H,5-8,13-14H2,1-4H3,(H,23,26)